CID 355841

4-methyl-1,2,3-thiadiazole

Structural Information

Molecular Formula
C3H4N2S
SMILES
CC1=CSN=N1
InChI
InChI=1S/C3H4N2S/c1-3-2-6-5-4-3/h2H,1H3
InChIKey
OFFFOVCCGHKJES-UHFFFAOYSA-N
Compound name
4-methylthiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1698
Patents

100.00952 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.01680 116.0
[M+Na]+ 122.99874 128.2
[M+NH4]+ 118.04334 125.5
[M+K]+ 138.97268 122.0
[M-H]- 99.002244 117.2
[M+Na-2H]- 120.98419 122.2
[M]+ 100.00897 118.5
[M]- 100.01007 118.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe